E260 - ≥98% , CAS No.1241537-79-0

CAS: 1241537-79-0 Cat. No.: E412119 분자식: C₂₄H₃₄N₆S 분자량: 438.63

등급 & 순도 ≥98%

Synonyms

Fer and FerT inhibitor E260Imidazo[2,​1-​b]​-​1,​3,​4-​thiadiazole,6-​[4-​(1-​methylethyl)​phenyl]​-​2-​[4-​[(4-​methyl-​1-​piperazinyl)​methyl]​-​1-​piperidinyl]​-；6-(4-isopropylphenyl)-2-(4-((4-methylpiperazin-1-yl)methyl)piperidin-1-yl)imidazo[2,1-b][1

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Targets

Fer kinase ; FerT

사양

동의어

Fer and FerT inhibitor E260Imidazo[2,​1-​b]​-​1,​3,​4-​thiadiazole,6-​[4-​(1-​methylethyl)​phenyl]​-​2-​[4-​[(4-​methyl-​1-​piperazinyl)​methyl]​-​1-​piperidinyl]​-；6-(4-isopropylphenyl)-2-(4-((4-methylpiperazin-1-yl)methyl)piperidin-1-yl)imidazo[2,1-b][1

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

E260 (Fer and FerT inhibitor E260) is a Fer kinase and FerT inhibitor that selectively evokes metabolic stress in cancer cells by imposing mitochondrial dysfunction and deformation, and onset of energy-consuming autophagy which decreases the cellular ATP

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

순수함

≥98%

이름과 식별자

Pubchem Sid

528764325

정식 스마일

CC(C)C1=CC=C(C=C1)C2=CN3C(=N2)SC(=N3)N4CCC(CC4)CN5CCN(CC5)C

IUPAC Name

2-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-6-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazole

InChIKey

RFHSWNJYHRAOMP-UHFFFAOYSA-N

INCHI

1S/C24H34N6S/c1-18(2)20-4-6-21(7-5-20)22-17-30-23(25-22)31-24(26-30)29-10-8-19(9-11-29)16-28-14-12-27(3)13-15-28/h4-7,17-19H,8-16H2,1-3H3

이성체 SMILES

CC(C)C1=CC=C(C=C1)C2=CN3C(=N2)SC(=N3)N4CCC(CC4)CN5CCN(CC5)C

분자량

438.63

Reaxy-Rn

20663094

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20663094&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Phenylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Phenylimidazoles
• Alternative Parents: Bicyclic monoterpenoids Aromatic monoterpenoids Phenylpropanes Cumenes Dialkylarylamines N-methylpiperazines 2-amino-5-substituted-1,3,4-thiadiazoles Piperidines N-substituted imidazoles Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 5-phenylimidazole - 4-phenylimidazole - P-cymene - Aromatic monoterpenoid - Bicyclic monoterpenoid - Monoterpenoid - Cumene - Phenylpropane - Dialkylarylamine - N-methylpiperazine - N-alkylpiperazine - 2-amino-5-substituted-1,3,4-thiadiazole - Benzenoid - Monocyclic benzene moiety - 1,4-diazinane - N-substituted imidazole - 2-amino-1,3,4-thiadiazole - Piperazine - Piperidine - Thiadiazole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Azacycle - Amine - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 용해성: Solubility (25°C) In vitro Ethanol: 15 mg/mL (34.19 mM); DMSO: Insoluble; Water: Insoluble
• 분자량: 438.600 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 438.257 Da
• Monoisotopic Mass: 438.257 Da
• Topological Polar Surface Area: 68.200 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 566.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1